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DocumentationIdentifier: MM43188
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM43188 |
| SMILES |
C=C(C=O)NC(=O)CF
|
| InChIKey |
FPBLLGVHJQBJJH-UHFFFAOYSA-N
|
| MW [Da] |
131.11
Automatically obtained from RDkit software. |
| LogP |
-0.22
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM33085
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| Tanimoto metric | 0.7379 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8492 |
| MW: | 117.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7087 |
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| Cosine metric | 0.8419 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.16 |
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| AI: | 0
Total active interactions
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MM246509
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Similarity to MM246509
| Tanimoto metric | 0.6688 |
|---|---|
| Cosine metric | 0.8178 |
| Dice metric | 0.8016 |
| MW: | 145.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+148 more
